N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | G647-2550 |
| Compound Name: | N-(2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C25 H19 N5 O2 S |
| Smiles: | C(C1=CC(N2C(NC(c3ccccc3)=N2)=N1)=O)Sc1ccccc1NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7674 |
| logD: | 3.7674 |
| logSw: | -4.1561 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.318 |
| InChI Key: | PDCWVZPUXODHFK-UHFFFAOYSA-N |